13300
Phenylacetonitrile
purum, ≥98.0% (GC)
Synonym(s):
Benzyl cyanide
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About This Item
Linear Formula:
C6H5CH2CN
CAS Number:
Molecular Weight:
117.15
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
205-410-5
MDL number:
Beilstein/REAXYS Number:
385941
SMILES string
N#CCc1ccccc1
grade
purum
assay
≥98.0% (GC)
refractive index
n20/D 1.524
bp
231-233 °C (lit.)
density
1.015 g/mL at 20 °C (lit.)
Other Notes
Sales restrictions may apply
This product has been replaced by B19401-ALDRICH | Benzyl cyanide 98%
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 3 Oral
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 2
flash_point_f
215.6 °F - closed cup
flash_point_c
102 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Liping Huang et al.
Organic letters, 14(24), 6122-6125 (2012-12-06)
A small organic molecule phenylacetonitrile promoted chemoselective cyclization of (chromen-3-yl)alkynylnitriles to generate a novel tetracyclic or tricyclic chromone scaffold has been discovered. Importantly, the phenylacetonitrile serves as an anion transfer reagent changing the normal reaction of the substrate.
José Luis García Ruano et al.
The Journal of organic chemistry, 72(16), 5994-6005 (2007-07-17)
Enantiomerically pure alpha-substituted alpha-amino phenylacetonitriles have been readily prepared from 2-p-tolylsulfinylbenzaldimines following a two-step sequence: a moderately stereoselective hydrocyanation of the imines and a completely stereoselective quaternization of the resulting diastereoisomeric mixture of alpha-amino phenylacetonitriles with different alkylating or acylating
Martinus E Huigens et al.
Journal of chemical ecology, 37(4), 364-367 (2011-04-01)
Males of a variety of insects transfer an anti-aphrodisiac pheromone to females during mating that renders them less attractive to conspecific males. In cabbage white butterflies, the transfer of an anti-aphrodisiac can result in the unwanted attraction of tiny egg
Jacques Corset et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 68(5), 1340-1346 (2007-05-01)
The carbanionic species possibly formed during the first alkylation step of phenylacetonitrile lithiated anion by CH(3)I and PhCH(2)Cl in THF-hexane solution and their complexes with the lithium salt formed have been observed by infrared spectrometry and characterized by density functional
Martinus E Huigens et al.
Proceedings of the National Academy of Sciences of the United States of America, 106(3), 820-825 (2009-01-14)
Many insects possess a sexual communication system that is vulnerable to chemical espionage by parasitic wasps. We recently discovered that a hitch-hiking (H) egg parasitoid exploits the antiaphrodisiac pheromone benzyl cyanide (BC) of the Large Cabbage White butterfly Pieris brassicae.
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